500 Lattice="20.023174522619698 0.0 0.0 0.0 20.023174522619698 0.0 0.0 0.0 20.023174522619698" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3607.10323053082 stress="-0.005424902997912948 0.0003107111410603555 0.0003134812291338814 0.0003107111410603555 -0.005635667352658599 0.00046892196936012436 0.0003134812291338814 0.00046892196936012436 -0.005536899045301815" free_energy=-3607.10323053082 pbc="F F F" Ta 0.00300367 0.01921969 0.02756776 0.79289180 0.95141169 0.97768992 Ta 1.97608249 1.96468592 0.03322030 0.51130353 0.46353439 0.18363483 Ta 1.98926354 0.00951209 2.01533186 0.47582278 0.23751875 0.46581033 Ta 0.01001054 2.04726315 2.03132770 0.14180726 -0.07542346 0.15987753 Ta 4.03084883 0.03272486 0.02451159 -0.40151037 0.59407444 0.56341542 Ta 5.97424290 1.99766932 0.06788503 0.09394250 0.59416477 -0.21969268 Ta 5.96926777 0.01203532 1.96806259 0.14851711 -0.07443092 0.72730299 Ta 3.97278074 2.02581965 2.04092379 -0.10252077 -0.48703447 -0.43141684 Ta 7.99894009 0.00093716 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5.99522787 15.98804618 10.04689044 -0.24064682 1.00654882 -0.04502816 Ta 4.00466623 18.05093378 10.03738928 -0.05770228 -0.07907369 -0.23156025 Ta 8.00967188 16.01372657 8.05325604 -0.14073582 0.63632543 -0.32583943 Ta 10.02559964 17.99146161 8.02813274 -0.03949302 0.21433798 -0.23191339 Ta 10.06112488 16.00589732 9.98202454 -0.28598847 0.51927728 0.26575691 Ta 8.04240619 17.98734372 10.00431592 -0.16025071 0.14271095 0.20993621 Ta 12.04956002 16.04683461 8.00731500 -0.09798606 0.22297136 -0.23656365 Ta 14.00189509 18.03189822 8.02291074 0.31056149 0.29125235 -0.03115263 Ta 14.02432491 16.04403547 9.97171803 -0.02183558 0.16391040 0.36492425 Ta 11.98574734 18.01828037 9.99293944 0.12979420 0.22138696 0.30216072 Ta 15.99276765 16.04035165 8.06930866 0.68301685 0.02236079 -0.31012369 Ta 18.01064460 18.05804859 8.06075897 -0.57686972 -0.75581831 0.04909638 Ta 18.05698166 16.01179975 10.03475887 -0.19969627 -0.20526026 -0.05679310 Ta 16.03646985 17.96180731 10.04641585 -0.14897827 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14.00308070 -0.74826973 0.19638728 0.38138802 Ta 8.04786717 3.98484730 12.00802022 -0.39341915 -0.24504270 0.17773251 Ta 9.97875674 5.98436611 12.06222392 0.27634230 -0.00077420 -0.31254642 Ta 9.98738000 3.96515108 14.03944755 0.20118857 -0.16091886 0.28433573 Ta 7.99170007 6.00617459 14.03850829 0.17277911 0.11592646 0.20377023 Ta 12.04348850 3.98949398 12.06568078 -0.17755398 -0.10660188 -0.30823268 Ta 14.01216576 6.04226147 12.05002461 0.48372067 -0.36130331 -0.26936106 Ta 14.05028650 4.02508073 14.01671422 0.44528733 -0.59337046 0.34739466 Ta 11.98901638 5.96836473 14.04615663 0.20079819 0.12982695 0.32039529 Ta 16.01300636 4.02002804 11.98810341 0.43602336 -0.34124176 0.19088296 Ta 18.01695748 6.01840779 12.00995543 0.19269356 -0.16026841 0.23955349 Ta 17.98294882 4.00186985 14.02962120 0.13278848 -0.28146509 0.09648225 Ta 16.05691432 6.04209237 14.04114456 0.44772280 -0.22937582 0.09591836 Ta 0.01591084 8.02142609 11.99479036 -0.19580835 0.00542266 0.21033296 Ta 1.97812103 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